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Back ChemicalBook Home>CAS DataBase List>4272-77-9More Spectrum> 5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1

4272-77-9

5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1

Molecular FormulaC12H13NO3S

Molecular Weight251.3

InChIInChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)

InChIKey BBEQQKBWUHCIOU-UHFFFAOYSA-N

SmilesC1(S(O)(=O)=O)=C2C(C(N(C)C)=CC=C2)=CC=C1

  • 5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1
    Mass

    MS-IW-3871          
    5-dimethylamino-1-naphthalenesulfonic acid
    C12H13NO3S H2O      (Mass of molecular ion:    251)
    

       Source Temperature: 180 °C
       Sample Temperature: 280 °C
       Direct, 75 eV
    

          15.0       1.2
          17.0       1.3
          18.0       5.7
          28.0       2.3
          30.0       1.0
          39.0       2.5
          42.0       7.1
          43.0       1.2
          44.0       4.9
          48.0       1.9
          50.0       2.4
          51.0       4.1
          52.0       1.0
          55.0       1.0
          62.0       1.9
          63.0       7.6
          63.5       1.4
          64.0       5.8
          65.0       2.1
          70.5       1.5
          71.5       1.2
          72.0       1.0
          74.0       3.4
          75.0       4.7
          76.0       3.8
          76.5       2.0
          77.0       8.7
          77.5       2.5
          78.0       1.4
          83.5       5.3
          84.0       1.7
          84.5       2.1
          85.0       1.1
          86.0       1.4
          87.0       2.4
          88.0       2.3
          89.0       2.5
          98.0       1.0
          99.0       1.6
         100.0       1.3
         101.0       3.0
         102.0       2.6
         103.0       2.7
         113.0       3.5
         114.0       4.7
         115.0      15.8
         116.0       4.0
         117.0       1.3
         125.0       1.4
         125.5       1.5
         126.0       8.7
         127.0      19.3
         128.0       9.8
         129.0       4.3
         130.0       2.5
         131.0       2.9
         139.0       1.8
         140.0       3.5
         141.0       3.4
         142.0       2.2
         143.0       3.0
         144.0       3.7
         152.0       1.3
         153.0       5.0
         154.0      26.1
         155.0      14.3
         156.0       6.2
         157.0       3.7
         158.0       1.4
         167.0       5.2
         168.0      51.0
         169.0      41.2
         170.0      14.3
         171.0       6.1
         172.0       1.8
         184.0       3.8
         185.0       2.2
         186.0       1.7
         203.0       1.1
         208.0       7.5
         221.0       1.0
         223.0       2.5
         235.0       1.3
         236.0       2.8
         237.0      26.0
         238.0       3.6
         239.0       1.5
         250.0      40.3
         251.0     100.0
         252.0      15.8
         253.0       6.0
         265.0       1.3
    

400 MHz in DMSO-d6

  • 5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1

    1H NMR 399.65 MHz
    C12 H13 N O3 S 0.033 g : 0.5 ml DMSO-d6
    5-dimethylamino-1-naphthalenesulfonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.999 B 8.236 C 8.094 D 7.926 E 7.658 F 7.648 G 3.326 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       3601.07   9.011     89
       3592.38   8.989     95
       3296.05   8.248     83
       3287.51   8.226     91
       3239.29   8.106    116
       3232.12   8.088    133
       3231.20   8.086    122
       3171.84   7.937     71
       3164.22   7.918     82
       3068.54   7.679     77
       3064.58   7.669     86
       3061.22   7.660     97
       3059.84   7.657     93
       3056.64   7.649    111
       3055.88   7.647    104
       3052.67   7.639     80
       3048.10   7.627     75
       1329.19   3.326   1000
    

in DMSO-d6

  • 5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1

KBr disc

  • 5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1

nujol mull

  • 5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1

5-(Dimethylamino)-1-naphthalenesulfonic acid(4272-77-9) IR1 Atlas of Related Products

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